CID 45434676
Basic information
- CAS
1054130-61-8- Standard SMILES
Cc1ccc(C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cc1[N+](=O)[O-]- InChIKey
BLVNNXPSEXIQST-UHFFFAOYSA-N- Molecular formula
- C25H23FN4O6
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 494.16016263
Names & identifiers
- Preferred name
- CID 45434676
- IUPAC
- 1-cyclopropyl-6-fluoro-7-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[4-(4-Methyl-3-nitrobenzoyl)-1-piperazinyl]-4-oxo-
- Molecular formula
- C25H23FN4O6
- Molecular weight
- 494.47
Names & synonyms
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[4-(4-methyl-3-nitrobenzoyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]-4-oxo-quinolin-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[4-(4-Methyl-3-nitrobenzoyl)-1-piperazinyl]-4-oxo-
Database identifiers
- CAS
1054130-61-8- PubChem CID
- 45434676
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 957
Physicochemical properties
- Boiling point
- 758.4 · 758.4±60.0 °C(Predicted)
- Density
- 1.512 · 1.512±0.06 g/cm3(Predicted)
- pka
- 6.44 · 6.44±0.41(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…